6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C133H147F4N39O11S — CID 159009946

About 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159009946) has the molecular formula C133H147F4N39O11S and a molecular weight of 2575.96 g/mol. Its IUPAC name is 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159009946
• Molecular Formula: C133H147F4N39O11S
• Molecular Weight: 2575.96 g/mol
• Exact Mass: 2574.18
• IUPAC Name: 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CN1NN=C(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCNCC6)cc5)nc4n(Cc4ccccc4C(F)(F)F)c3=O)c(F)c2)N1.Cc1cnc(-c2cnn(C)c2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1nc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2nccn2C)ccc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O
• InChI: InChI=1S/C34H31F4N9O2.C34H38N10O2.C33H38N10O3.C31H36N10O4S.CH4/c1-46-44-30(43-45-46)20-6-11-26(29(35)17-20)27-16-22-18-40-33(41-23-7-9-24(10-8-23)49-25-12-14-39-15-13-25)42-31(22)47(32(27)48)19-21-4-2-3-5-28(21)34(36,37)38;1-22-27(10-11-29(37-22)32-35-13-17-42(32)3)28-18-23-19-36-34(39-25-8-6-24(7-9-25)38-26-12-16-41(2)20-26)40-31(23)44(33(28)46)21-30(45)43-14-4-5-15-43;1-22-17-34-30(25-19-36-41(3)20-25)38-29(22)27-16-24-18-35-33(37-26-6-4-23(5-7-26)28-21-40(2)10-15-46-28)39-31(24)43(32(27)44)9-8-42-11-13-45-14-12-42;1-20-26(19-33-28(36-20)27-11-13-35-40(27)3)25-16-21-17-34-31(38-29(21)41(30(25)42)15-14-39(2)46(4,43)44)37-22-7-9-23(10-8-22)45-24-6-5-12-32-18-24;/h2-11,16-18,25,39,45H,12-15,19H2,1H3,(H,43,44)(H,40,41,42);6-11,13,17-19,26,38H,4-5,12,14-16,20-21H2,1-3H3,(H,36,39,40);4-7,16-20,28H,8-15,21H2,1-3H3,(H,35,37,39);7-11,13,16-17,19,24,32H,5-6,12,14-15,18H2,1-4H3,(H,34,37,38);1H4
• InChIKey: JSIYEJAZIYOWRG-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 537.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2575.96
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159009946) is 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is C.CN1NN=C(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCNCC6)cc5)nc4n(Cc4ccccc4C(F)(F)F)c3=O)c(F)c2)N1.Cc1cnc(-c2cnn(C)c2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1nc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2nccn2C)ccc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.

What is the InChIKey of 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is JSIYEJAZIYOWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F4N9O2.C34H38N10O2.C33H38N10O3.C31H36N10O4S.CH4/c1-46-44-30(43-45-46)20-6-11-26(29(35)17-20)27-16-22-18-40-33(41-23-7-9-24(10-8-23)49-25-12-14-39-15-13-25)42-31(22)47(32(27)48)19-21-4-2-3-5-28(21)34(36,37)38;1-22-27(10-11-29(37-22)32-35-13-17-42(32)3)28-18-23-19-36-34(39-25-8-6-24(7-9-25)38-26-12-16-41(2)20-26)40-31(23)44(33(28)46)21-30(45)43-14-4-5-15-43;1-22-17-34-30(25-19-36-41(3)20-25)38-29(22)27-16-24-18-35-33(37-26-6-4-23(5-7-26)28-21-40(2)10-15-46-28)39-31(24)43(32(27)44)9-8-42-11-13-45-14-12-42;1-20-26(19-33-28(36-20)27-11-13-35-40(27)3)25-16-21-17-34-31(38-29(21)41(30(25)42)15-14-39(2)46(4,43)44)37-22-7-9-23(10-8-22)45-24-6-5-12-32-18-24;/h2-11,16-18,25,39,45H,12-15,19H2,1H3,(H,43,44)(H,40,41,42);6-11,13,17-19,26,38H,4-5,12,14-16,20-21H2,1-3H3,(H,36,39,40);4-7,16-20,28H,8-15,21H2,1-3H3,(H,35,37,39);7-11,13,16-17,19,24,32H,5-6,12,14-15,18H2,1-4H3,(H,34,37,38);1H4.

What are the key properties of 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2575.96 g/mol, XLogP of 15.60, 34 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159009946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).